(1S,2E)-2-Cyclododecen-1-Yl (1S,4R)-4,7,7-Trimethyl-3-Oxo-2-Oxabicyclo[2.2.1]Heptane-1-Carboxylate

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Formula C22H34O4
IUPAC Name [(1s,2e)-cyclododec-2-en-1-yl] (1s,4r)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Molecular Mass 362.503 g·mol−1
Heat of Formation -833.3 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 474.2 Å 3
Surface Area 370.23 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4s)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid [(1s,2e)-1-cyclododec-2-enyl] ester
  • (1r,4s)-2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid [(1s,2e)-1-cyclododec-2-enyl] ester
  • 2-cyclododecenyl camphanate
  • [(1s,2e)-1-cyclododec-2-enyl] (1r,4s)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate
CAS Number(s)
  • 120450-70-6
InChIKey LIBXEFHIEGCCRU-MYVFEXDSSA-N
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